tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate

C17H34NO4P — CID 58842010

IUPACtert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate
SMILESC=CCOP(OCCCC(=O)OC(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C17H34NO4P/c1-9-12-20-23(18(14(2)3)15(4)5)21-13-10-11-16(19)22-17(6,7)8/h9,14-15H,1,10-13H2,2-8H3
InChIKeyMPTQLXGDWXGVHC-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.67
Rot. Bonds11

About tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate

tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate (PubChem CID 58842010) has the molecular formula C17H34NO4P and a molecular weight of 347.44 g/mol. Its IUPAC name is tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate.

Molecular Properties

Compound Nametert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate
PubChem CID58842010
Molecular FormulaC17H34NO4P
Molecular Weight347.44 g/mol
Exact Mass347.22
IUPAC Nametert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate
SMILESC=CCOP(OCCCC(=O)OC(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C17H34NO4P/c1-9-12-20-23(18(14(2)3)15(4)5)21-13-10-11-16(19)22-17(6,7)8/h9,14-15H,1,10-13H2,2-8H3
InChIKeyMPTQLXGDWXGVHC-UHFFFAOYSA-N
XLogP4.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-prop-2-enoyloxybutanoate
CID 150138200
tert-butyl 4-[2-[2-[2-(3-oxo-3-prop-2-enoxypropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 158205428
ditert-butyl pentanedioate
CID 3016405
tert-butyl (5Z)-nona-5,8-dienoate
CID 130346489
tert-butyl 4-oxo-4-(2-prop-2-enoxypropylamino)butanoate
CID 114264028
tert-butyl 5-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]pentanoate;prop-2-enyl 5-[2-[2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentoxy]ethoxy]ethoxy]pentanoate
CID 159287274
20-O-tert-butyl 1-O-(1-chloroethyl) icosanedioate
CID 177224881
4-O-tert-butyl 1-O-(4-prop-2-enoyloxybutyl) butanedioate
CID 121288895
[(2S)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxo-1-prop-2-enoxypentan-2-yl]azanium
CID 7015064
5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-prop-2-enoxycarbonylpentanoic acid
CID 154734289
7-O-amino 1-O-tert-butyl heptanedioate
CID 87227654
tert-butyl decanoate;hydrobromide
CID 172791977

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate?
The IUPAC name of tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate (CID 58842010) is tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate.
What is the SMILES notation for tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate?
The canonical SMILES for tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate is C=CCOP(OCCCC(=O)OC(C)(C)C)N(C(C)C)C(C)C.
What is the InChIKey of tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate?
The InChIKey is MPTQLXGDWXGVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NO4P/c1-9-12-20-23(18(14(2)3)15(4)5)21-13-10-11-16(19)22-17(6,7)8/h9,14-15H,1,10-13H2,2-8H3.
What are the key properties of tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate?
tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate has a molecular weight of 347.44 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[di(propan-2-yl)amino]-prop-2-enoxyphosphanyl]oxybutanoate is sourced from PubChem (CID 58842010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).